Re: [AMBER] Calcium forcefields

From: Aashish Bhatt <aashish.ph16221.inst.ac.in>
Date: Wed, 18 Jul 2018 11:05:59 +0530

Daer Piotr

In amber only for Ca2+, force field is available. check *source
leaprc.water.opc* and for Ca2+ keyword is* CA*.

Regards
Aashish Bhatt







On Tue, Jul 17, 2018 at 11:06 PM, Piotr Fajer <pfajer.fsu.edu> wrote:

> Forcefields for Ca2+ :
>
> I am attempting to simulate behavior of calcium binding EF-hand proteins.
> Is there a developed forcefield, parameters for Ca2+ ion similar to ZAAF
> for zinc ion developed by Li&Merz ?
>
> Thanks
>
> Peter
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Received on Tue Jul 17 2018 - 23:00:02 PDT
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